%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
B 1.24014984 0.19576659 0.30435815
O 2.25517416 -0.70733657 0.61114745
C 3.47810244 -0.2844563 -0.0245272
C 3.04113308 0.82366956 -1.00322578
O 1.69691431 1.15265079 -0.59909046
H 3.93928928 -1.1436172 -0.52331737
H 4.16620127 0.08560055 0.74670346
H 3.66425927 1.72245952 -0.94348535
H 3.02111538 0.47814296 -2.04506537
Ag -0.73579427 0.12353235 1.10585497
C -2.74929669 0.04955001 1.92347258
N -3.26337589 -0.80470013 2.84704131
C -4.59952928 -0.55440118 3.13415588
C -4.9526679 0.50624343 2.35990822
N -3.81327892 0.8466371 1.64133445
H -5.16805817 -1.13466888 3.8443838
H -5.88971613 1.03230825 2.26217691
H -2.70649804 -1.53761902 3.26419436
H -3.75185975 1.60144406 0.97216896

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


